[CP2K-user] What exactly is SCALE of a COLVAR in METADYNAMICS?

Marcella Iannuzzi marci... at gmail.com
Wed Jan 6 15:07:53 UTC 2021

Hello Itai

it is the standard deviation
Kind regards

On Wednesday, January 6, 2021 at 12:11:35 PM UTC+1 za... at gmail.com wrote:

> Hello,
> I understood that SCALE represents the width of the gaussians, but what 
> exactly is meant by width? Is it the standard deviations, the variance, or 
> the full width at half the maximum (FWHM)? or half the FWHM? Or something 
> else?
> I would be VERY thankful if someone could point on the width in the 
> gaussian equation, so that I culd not be mistaken in understanding what 
> exactly SCALE means?
> Thanks a LOT
> Itai
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